(3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

Systemtic Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Openeye Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-pyridylmethyl)piperidine-3-carboxamide CAS Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(2-pyridinylmethyl)-3-piperidinecarboxamide IUPAC Name: (3S)-1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide Traditional Name: (3S)-1-piazthiol-4-ylsulfonyl-N-(2-pyridylmethyl)nipecotamide Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=CC=N4

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC3=NSN=C32)C(=O)NCC4=CC=CC=N4

InChI

InChI=1S/C18H19N5O3S2/c24-18(20-11-14-6-1-2-9-19-14)13-5-4-10-23(12-13)28(25,26)16-8-3-7-15-17(16)22-27-21-15/h1-3,6-9,13H,4-5,10-12H2,(H,20,24)/t13-/m0/s1